SCHEMBL16638448

SCHEMBL16638448

CCC1Cc2c(c3cc(C)ccc3n2CC(C)(O)c2cccnc2)CN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 12/20 0.44
HTR6 P50406 10/20 0.44
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
ADRA2A P08913 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR7 P34969 3/20 0.35
ADRA1A P35348 3/20 0.35
GRIN2B Q13224 3/20 0.35
DRD2 P14416 2/20 0.35
ACHE P22303 2/20 0.35
BCHE P06276 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1E P28566 1/20 0.35
ADRA1B P35368 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15570392 0.93 HRH1 (0.44) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL13834090 0.93 HRH1 (0.44) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL12480671 0.89 HRH1 (0.45) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL13834088 0.86 HRH1 (0.43) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL16638447 0.85 HRH1 (0.42) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL2185501 0.82 HRH1 (0.66) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL17230226 0.81 HRH1 (0.49) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL13834322 0.80 HRH1 (0.55) HRH1HTR6GRIN1GRIN2AADRA2A
SCHEMBL12480733 0.80 HTR6 (0.37) HRH1HTR6HDAC6HDAC1PTGDR2
SCHEMBL16638428 0.80 HSD17B10 (0.48) HRH1HTR6GRIN1GRIN2AADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HRH1 93/4885HTR6 47/4885GRIN1 1388/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.